Magnesium in PDB 5cfa: Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand

The structure of Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand, PDB code: 5cfa was solved by Y.Yu, X.Y.Zhang, J.K.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.56 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.916, 74.961, 75.563, 90.00, 102.91, 90.00
R / Rfree (%)	17.8 / 21.2

The binding sites of Magnesium atom in the Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand (pdb code 5cfa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand, PDB code: 5cfa:

Magnesium binding site 1 out of 1 in the Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structures of Bbp From Staphylococcus Aureus with Peptide Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:13.6 occ:1.00 OE1 A:GLU18 2.2 24.5 1.0 O A:VAL25 2.4 18.5 1.0 O A:HOH645 2.4 23.1 1.0 OD2 A:ASP23 2.5 22.2 1.0 O A:LYS21 2.5 22.1 1.0 OE2 A:GLU32 2.5 18.1 1.0 OE1 A:GLU32 2.5 17.8 1.0 CD A:GLU32 2.8 17.2 1.0 CD A:GLU18 3.3 25.2 1.0 CG A:ASP23 3.4 22.6 1.0 C A:VAL25 3.5 17.9 1.0 C A:LYS21 3.6 25.2 1.0 OD1 A:ASP23 3.8 24.0 1.0 N A:LYS21 4.1 21.4 1.0 OE2 A:GLU18 4.1 27.7 1.0 N A:VAL25 4.1 21.6 1.0 CB A:GLU18 4.1 21.6 1.0 CA A:LYS21 4.2 28.6 1.0 CG A:GLU18 4.2 23.5 1.0 N A:ASP23 4.3 24.5 1.0 CB A:LYS21 4.3 28.7 1.0 CA A:VAL25 4.3 20.0 1.0 CG A:GLU32 4.3 16.9 1.0 N A:ILE26 4.3 18.1 1.0 CA A:ILE26 4.4 16.2 1.0 N A:GLN27 4.6 14.7 1.0 N A:ASP22 4.7 27.6 1.0 CB A:ASP23 4.7 25.5 1.0 CB A:VAL25 4.8 23.3 1.0 N A:GLY24 4.9 26.9 1.0 CD1 A:ILE26 4.9 25.7 1.0 CA A:ASP23 4.9 21.5 1.0

X.Y.Zhang, M.Wu, W.Zhuo, J.K.Gu, S.S.Zhang, J.P.Ge, M.J.Yang. Crystal Structures of Bbp From Staphylococcus Aureus Reveal the Ligand Binding Mechanism with Fibrinogen Alpha Protein Cell V. 6 757 2015.
ISSN: ESSN 1674-8018
PubMed: 26349459
DOI: 10.1007/S13238-015-0205-X